1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten

C79H99N9O5W4-4 — CID 158270331

IUPAC1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten
SMILESCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.Cc1cc(C(=O)CN2CCC(C)(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W]
InChIInChI=1S/C21H27N2O.C20H25N2O.C19H24N3O.C19H23N2O2.4W/c1-16-14-19(17(2)23(16)18-8-6-5-7-9-18)20(24)15-22-12-10-21(3,4)11-13-22;1-15-8-7-11-21(13-15)14-20(23)19-12-16(2)22(17(19)3)18-9-5-4-6-10-18;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;/h6-9,14H,10-13,15H2,1-4H3;5-6,9-10,12,15H,7-8,11,13-14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;/q4*-1;;;;
InChIKeyHKXCISZSGLRCLY-UHFFFAOYSA-N
MW1990.08 g/mol
LogP13.12
Rot. Bonds17

About 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten

1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten (PubChem CID 158270331) has the molecular formula C79H99N9O5W4-4 and a molecular weight of 1990.08 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten
PubChem CID158270331
Molecular FormulaC79H99N9O5W4-4
Molecular Weight1990.08 g/mol
Exact Mass1989.58
IUPAC Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten
SMILESCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.Cc1cc(C(=O)CN2CCC(C)(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W]
InChIInChI=1S/C21H27N2O.C20H25N2O.C19H24N3O.C19H23N2O2.4W/c1-16-14-19(17(2)23(16)18-8-6-5-7-9-18)20(24)15-22-12-10-21(3,4)11-13-22;1-15-8-7-11-21(13-15)14-20(23)19-12-16(2)22(17(19)3)18-9-5-4-6-10-18;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;/h6-9,14H,10-13,15H2,1-4H3;5-6,9-10,12,15H,7-8,11,13-14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;/q4*-1;;;;
InChIKeyHKXCISZSGLRCLY-UHFFFAOYSA-N
XLogP13.12
TPSA113.43 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001990.08
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten with MolForge

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Related Compounds

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 5067339
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238
1-[2,5-dimethyl-1-(4-pentylphenyl)pyrrol-3-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 123866117
methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-yl)acetyl]pyrrol-1-yl]benzoate
CID 5239608
1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 18093885
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62923985
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
methyl 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 26299016
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 31931671
4-[3-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 53355925

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten?
The IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten (CID 158270331) is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten.
What is the SMILES notation for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten?
The canonical SMILES for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten is COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.Cc1cc(C(=O)CN2CCC(C)(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].
What is the InChIKey of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten?
The InChIKey is HKXCISZSGLRCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N2O.C20H25N2O.C19H24N3O.C19H23N2O2.4W/c1-16-14-19(17(2)23(16)18-8-6-5-7-9-18)20(24)15-22-12-10-21(3,4)11-13-22;1-15-8-7-11-21(13-15)14-20(23)19-12-16(2)22(17(19)3)18-9-5-4-6-10-18;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;/h6-9,14H,10-13,15H2,1-4H3;5-6,9-10,12,15H,7-8,11,13-14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;/q4*-1;;;;.
What are the key properties of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten?
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten has a molecular weight of 1990.08 g/mol, XLogP of 13.12, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone;tungsten is sourced from PubChem (CID 158270331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).